2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1133 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 485.03 |
| Molecular Formula: | C23 H21 Cl N4 O2 S2 |
| Smiles: | C1CC(CN/C=C2\C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2nc3ccccc3s2)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5354 |
| logD: | 4.5333 |
| logSw: | -4.7711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.368 |
| InChI Key: | HMKRYJBNMFBJNS-MRXNPFEDSA-N |